3-(4-chlorophenyl)imino-1-methylindol-2-one

C15H11ClN2O — CID 2816033

IUPAC3-(4-chlorophenyl)imino-1-methylindol-2-one
SMILESCN1C(=O)/C(=N\c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C15H11ClN2O/c1-18-13-5-3-2-4-12(13)14(15(18)19)17-11-8-6-10(16)7-9-11/h2-9H,1H3/b17-14-
InChIKeyCQBZFOMAFAKBPU-VKAVYKQESA-N
MW270.72 g/mol
LogP3.44
Rot. Bonds1

About 3-(4-chlorophenyl)imino-1-methylindol-2-one

3-(4-chlorophenyl)imino-1-methylindol-2-one (PubChem CID 2816033) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)imino-1-methylindol-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)imino-1-methylindol-2-one
PubChem CID2816033
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name3-(4-chlorophenyl)imino-1-methylindol-2-one
SMILESCN1C(=O)/C(=N\c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C15H11ClN2O/c1-18-13-5-3-2-4-12(13)14(15(18)19)17-11-8-6-10(16)7-9-11/h2-9H,1H3/b17-14-
InChIKeyCQBZFOMAFAKBPU-VKAVYKQESA-N
XLogP3.44
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)imino-1-methylindol-2-one?
The IUPAC name of 3-(4-chlorophenyl)imino-1-methylindol-2-one (CID 2816033) is 3-(4-chlorophenyl)imino-1-methylindol-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)imino-1-methylindol-2-one?
The canonical SMILES for 3-(4-chlorophenyl)imino-1-methylindol-2-one is CN1C(=O)/C(=N\c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 3-(4-chlorophenyl)imino-1-methylindol-2-one?
The InChIKey is CQBZFOMAFAKBPU-VKAVYKQESA-N. The full InChI is InChI=1S/C15H11ClN2O/c1-18-13-5-3-2-4-12(13)14(15(18)19)17-11-8-6-10(16)7-9-11/h2-9H,1H3/b17-14-.
What are the key properties of 3-(4-chlorophenyl)imino-1-methylindol-2-one?
3-(4-chlorophenyl)imino-1-methylindol-2-one has a molecular weight of 270.72 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)imino-1-methylindol-2-one is sourced from PubChem (CID 2816033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).